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Phthalic acid, nonyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 3-phenoxybenzyl ester
SpectraBase Compound ID 9Te8WS6WLtO
InChI InChI=1S/C30H34O5/c1-2-3-4-5-6-7-13-21-33-29(31)27-19-11-12-20-28(27)30(32)34-23-24-15-14-18-26(22-24)35-25-16-9-8-10-17-25/h8-12,14-20,22H,2-7,13,21,23H2,1H3
InChIKey LQDCDEUAOYYWBQ-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C30H34O5
Exact Mass 474.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EoW20SYCI7f
Name Phthalic acid, nonyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.240624190 u
Formula C30H34O5
InChI InChI=1S/C30H34O5/c1-2-3-4-5-6-7-13-21-33-29(31)27-19-11-12-20-28(27)30(32)34-23-24-15-14-18-26(22-24)35-25-16-9-8-10-17-25/h8-12,14-20,22H,2-7,13,21,23H2,1H3
InChIKey LQDCDEUAOYYWBQ-UHFFFAOYSA-N
Molecular Weight 474.597 g/mol
SMILES C1(=CC=CC=C1C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O)C(OCCCCCCCCC)=O